[(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate

C27H24O7 — CID 140504984

IUPAC[(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate
SMILESO=C(OC[C@H]1C[C@H](O)C(OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24O7/c28-22-16-21(17-32-25(29)18-10-4-1-5-11-18)23(33-26(30)19-12-6-2-7-13-19)24(22)34-27(31)20-14-8-3-9-15-20/h1-15,21-24,28H,16-17H2/t21-,22+,23+,24?/m1/s1
InChIKeyYXYPEXUFXKHHMZ-XDXUOVRZSA-N
MW460.48 g/mol
LogP3.68
Rot. Bonds7

About [(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate

[(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate (PubChem CID 140504984) has the molecular formula C27H24O7 and a molecular weight of 460.48 g/mol. Its IUPAC name is [(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate.

Molecular Properties

Compound Name[(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate
PubChem CID140504984
Molecular FormulaC27H24O7
Molecular Weight460.48 g/mol
Exact Mass460.15
IUPAC Name[(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate
SMILESO=C(OC[C@H]1C[C@H](O)C(OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H24O7/c28-22-16-21(17-32-25(29)18-10-4-1-5-11-18)23(33-26(30)19-12-6-2-7-13-19)24(22)34-27(31)20-14-8-3-9-15-20/h1-15,21-24,28H,16-17H2/t21-,22+,23+,24?/m1/s1
InChIKeyYXYPEXUFXKHHMZ-XDXUOVRZSA-N
XLogP3.68
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

[(1R)-2-(benzoyloxymethyl)-3-hydroxycyclobutyl]methyl benzoate
CID 71314028
[(1R,2S,3S)-2-(benzoyloxymethyl)-3-hydroxycyclobutyl]methyl benzoate
CID 92979836
[(1S,2R)-2-phenylcyclopropyl]methyl benzoate
CID 135011727
[(1S,2R,4R)-5-oxabicyclo[2.1.0]pentan-2-yl]methyl benzoate
CID 14796869
[(2S,3S,4S,5S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 69423691
[(2R,3R,4S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 54395944
[(2R,3R,4R,5S)-3,4-dibenzoyloxy-5-hydroxyoxolan-2-yl]methyl benzoate
CID 69423692
[(2R,3S,4S,5S,6R)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 95198842
[(2R,3S,4S)-3-benzoyloxy-4,5-dihydroxyoxolan-2-yl]methyl benzoate
CID 11121877
[(2R,3R,4S,5S)-3,4,5-tribenzoyloxy-6-hydroxyoxan-2-yl]methyl benzoate
CID 11146396
[(3R,4R,5S,6R,7S)-5,6-dibenzoyloxy-3,7-dihydroxyazepan-4-yl] benzoate
CID 10907120
[(1R,2R,5S,6S)-5-amino-2-bicyclo[4.1.0]heptanyl]methyl benzoate
CID 122213076

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate?
The IUPAC name of [(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate (CID 140504984) is [(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate.
What is the SMILES notation for [(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate?
The canonical SMILES for [(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate is O=C(OC[C@H]1C[C@H](O)C(OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate?
The InChIKey is YXYPEXUFXKHHMZ-XDXUOVRZSA-N. The full InChI is InChI=1S/C27H24O7/c28-22-16-21(17-32-25(29)18-10-4-1-5-11-18)23(33-26(30)19-12-6-2-7-13-19)24(22)34-27(31)20-14-8-3-9-15-20/h1-15,21-24,28H,16-17H2/t21-,22+,23+,24?/m1/s1.
What are the key properties of [(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate?
[(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate has a molecular weight of 460.48 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,4S)-2,3-dibenzoyloxy-4-hydroxycyclopentyl]methyl benzoate is sourced from PubChem (CID 140504984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).